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CHEBI:189967 - PS(DiMe(9,3)/MonoMe(11,3))

ChEBI IDCHEBI:189967
ChEBI NamePS(DiMe(9,3)/MonoMe(11,3))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H72NO12P
Net Charge0
Average Mass826.018
Monoisotopic Mass825.47921
SMILESCCCc1cc(C)c(CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCc2oc(CCC)c(C)c2C)COP(=O)(O)OCC(N)C(=O)O)o1
InChIInChI=1S/C43H72NO12P/c1-6-22-35-28-32(3)38(54-35)24-18-14-10-8-9-11-17-21-27-42(46)55-36(30-52-57(49,50)53-31-37(44)43(47)48)29-51-41(45)26-20-16-13-12-15-19-25-40-34(5)33(4)39(56-40)23-7-2/h28,36-37H,6-27,29-31,44H2,1-5H3,(H,47,48)(H,49,50)
InChIKeyVAQMLCBSNHZPCQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
marine plankton environmental sample (ncbitaxon:632957) endometabolome MetaboLights (MTBLS3038)
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
PS(DiMe(9,3)/MonoMe(11,3)) (CHEBI:189967) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name 
2-amino-3-[[3-[9-(3,4-dimethyl-5-propyluran-2-yl)nonanoyloxy]-2-[11-(3-methyl-5-propyluran-2-yl)undecanoyloxy]propoxy]-hydroxyphosphoryl]oxypropanoic acid
Manual XrefsDatabases
74849556ChemSpider
HMDB0061584HMDB